Autogenerated Tag Syntax Documentation:

Docking within a crystal lattice.

<DockLatticeMover name="(&string;)" fullatom="(false &bool;)"
        ncycles="(&non_negative_integer;)" trans_step="(&real;)"
        rot_step="(&real;)" chi_step="(&real;)" kT="(&real;)"
        randomize="(&bool;)" perturb_chi="(&bool;)" spacegroup="(&string;)"
        verbose="(&bool;)" init_score_cut="(&real;)" recover_low="(&bool;)"
        min="(&bool;)" final_min="(&bool;)" scorefxn="(&string;)" />
  • fullatom: If fullatom=1 it does fullatom docking with repacks and min steps; if fullatom=0 you need to provide a centroid energy function (e.g. score4_smooth) and it will also add lattice slide moves.
  • ncycles: # of steps to run.
  • trans_step: Magnitude of translational perturbations.
  • rot_step: Magnitude of rotational perturbations.
  • chi_step: Magnitude of torsion angle perturbations.
  • kT: Simulation temperature
  • randomize: Use a random starting point?
  • perturb_chi: Do we also randomize the torsions?
  • spacegroup: What spacegroup to run? Either a spacegroup name (no spaces or one of: input, random_chiral, or random_achiral)
  • verbose: Be verbose in output?
  • init_score_cut: the initial score cut to use for lattice generation
  • recover_low: Recover the low energy sampled conformation?
  • min: Minimize the lattice after each perturbation?
  • final_min: Minimize the lattice at the end of each simulation?
  • scorefxn: Name of score function to use